Dielectric permittivity and temperature effects on spin-spin couplings studied on acetonitrile

Magnetic Resonance in Chemistry

Volumn 46, Issue 1, 2008, Pages 63-68

  Sahakyan, Aleksandr B ^a   Shahkhatuni, Astghik A ^a   Shahkhatuni, Aleksan G ^a   Panosyan, Henry A ^a  

^a Molecular Structure Research Center Yerevan   (Armenia)

Author keywords

Acetonitrile; Dielectric constant; Hybrid DFT; IEFPCM; NMR; Solvent effects; Spin spin coupling; Temperature effects

Indexed keywords

ACETONITRILE; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; GEOMETRY; MOLECULES; ORGANIC SOLVENTS; TEMPERATURE DISTRIBUTION;

BASIS SETS; DIELECTRIC PERMITTIVITIES; HYBRID DENSITY FUNCTIONAL THEORY; IEFPCM; INDIRECT SPIN-SPIN COUPLING; J COUPLING; PROBE MOLECULES; SOLVENT EFFECTS; SPIN-SPIN COUPLING CONSTANTS; SPIN-SPIN COUPLINGS;

PERMITTIVITY;

EID: 38949166014     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2137     Document Type: Article

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